OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of SONGORAMINE


Physiochemical Properties
Molecular Weight 355.478 nRot 1
Heavy Atom Molecular Weight 326.246 nRig 28
Exact Molecular Weight 355.215 nRing 9
Solubility: LogS -3.693 nHRing 4
Solubility: LogP 2.009 No. of Aliphatic Rings 9
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 5
Atoms Count 55 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 26 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 9 No. Saturated Carbocycles 5
No. of Hydrogen atom 29 No. of Saturated Hetero Cycles 4
No. of Carbon atom 22 No. of Saturated Rings 9
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 4 APOL 59.583
nHD 1 BPOL 33.407
Medicinal Chemistry Properties
QED 0.725
Synth 7.812
Natural Product Likeliness 2.988
NR-PPAR-gamma 0.014
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.155
Pgp-sub 0.001
HIA 0.018
CACO-2 -4.892
Distribution
MDCK 0.0000257
BBB 0.937
PPB 0.608765
VDSS 1.661
Metabolism
FU 0.481217
CYP1A2-inh 0.015
CYP1A2-sub 0.927
CYP2c19-inh 0.022
CYP2c19-sub 0.94
CYP2c9-inh 0.015
CYP2c9-sub 0.092
CYP2d6-inh 0.013
CYP2d6-sub 0.745
CYP3a4-inh 0.143
CYP3a4-sub 0.638
Excretion
CL 22.505
T12 0.138
Toxicity
hERG 0.012
Ames 0.011
ROA 0.865
SkinSen 0.012
Carcinogencity 0.212
EI 0.009
Respiratory 0.962
NR-Aromatase 0.005
Antiviral Prediction
Antiviral Yes
Prediction 0.740513
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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